N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C21H29N3O3S — CID 131894249

IUPACN-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(SC3CCCCC3)o2)CC1)c1ccon1
InChIInChI=1S/C21H29N3O3S/c25-21(19-10-13-26-23-19)22-14-16-8-11-24(12-9-16)15-17-6-7-20(27-17)28-18-4-2-1-3-5-18/h6-7,10,13,16,18H,1-5,8-9,11-12,14-15H2,(H,22,25)
InChIKeyJBPJPJBPGZZWCW-UHFFFAOYSA-N
MW403.55 g/mol
LogP4.33
Rot. Bonds7

About N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 131894249) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID131894249
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC NameN-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccc(SC3CCCCC3)o2)CC1)c1ccon1
InChIInChI=1S/C21H29N3O3S/c25-21(19-10-13-26-23-19)22-14-16-8-11-24(12-9-16)15-17-6-7-20(27-17)28-18-4-2-1-3-5-18/h6-7,10,13,16,18H,1-5,8-9,11-12,14-15H2,(H,22,25)
InChIKeyJBPJPJBPGZZWCW-UHFFFAOYSA-N
XLogP4.33
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 131894249) is N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is O=C(NCC1CCN(Cc2ccc(SC3CCCCC3)o2)CC1)c1ccon1.
What is the InChIKey of N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JBPJPJBPGZZWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c25-21(19-10-13-26-23-19)22-14-16-8-11-24(12-9-16)15-17-6-7-20(27-17)28-18-4-2-1-3-5-18/h6-7,10,13,16,18H,1-5,8-9,11-12,14-15H2,(H,22,25).
What are the key properties of N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 403.55 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131894249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).